# AA SS3 SS8 ASA HSEa-u HSEa-d CN13 theta tau phi psi P(3-C) P(3-E) P(3-H) P(8-C) P(8-S) P(8-T) P(8-H) P(8-G) P(8-I) P(8-E) P(8-B) 0 M C C 99.50 8.28 13.33 22.55 111.77 -157.32 -87.86 127.25 99.63 0.08 0.29 99.46 0.12 0.14 0.21 0.01 0.00 0.03 0.02 1 A C C 57.93 6.16 12.39 20.00 109.45 -136.79 -77.37 145.77 65.84 0.60 33.57 59.25 1.00 4.35 33.92 1.00 0.00 0.24 0.26 2 E H H 112.64 4.03 15.14 20.00 100.86 -108.78 -73.02 -25.34 43.85 0.61 55.54 33.89 4.35 4.76 55.32 1.20 0.00 0.22 0.25 3 V H H 36.24 16.52 11.44 27.41 94.13 66.08 -64.87 -39.89 8.46 0.10 91.44 5.27 1.25 2.13 90.41 0.86 0.00 0.04 0.03 4 E H H 99.34 5.86 16.87 23.78 92.32 53.06 -64.08 -40.44 2.91 0.03 97.05 1.49 0.42 1.05 96.43 0.59 0.00 0.02 0.01 5 E H H 103.11 1.98 19.82 20.48 91.95 49.83 -64.98 -40.73 1.83 0.02 98.15 0.77 0.24 0.79 97.73 0.46 0.00 0.01 0.00 6 T H H 26.15 12.46 16.54 30.25 92.03 49.75 -65.08 -42.00 1.59 0.02 98.40 0.56 0.18 0.75 98.22 0.28 0.00 0.01 0.00 7 L H H 27.85 18.10 15.44 33.40 91.92 50.77 -63.85 -41.01 0.88 0.01 99.11 0.23 0.09 0.45 99.06 0.17 0.00 0.00 0.00 8 K H H 122.89 2.67 21.05 23.50 91.58 51.46 -63.46 -41.11 0.72 0.00 99.27 0.15 0.06 0.40 99.16 0.23 0.00 0.00 0.00 9 R H H 125.66 3.12 20.69 23.56 91.88 49.99 -64.89 -40.86 1.13 0.01 98.86 0.17 0.09 0.73 98.45 0.55 0.00 0.00 0.00 10 L H H 17.68 19.68 13.50 33.14 91.99 50.05 -65.96 -38.57 1.71 0.01 98.28 0.18 0.13 1.25 97.30 1.13 0.00 0.00 0.00 11 Q H H 84.88 11.56 15.35 27.30 91.14 57.89 -67.93 -23.71 16.57 0.02 83.41 0.52 0.50 15.66 81.88 1.40 0.01 0.01 0.01 12 S C T 92.38 0.99 18.53 17.87 93.10 57.40 -84.23 -7.72 69.92 0.06 30.03 1.57 2.12 65.55 28.89 1.79 0.01 0.02 0.05 13 Q C S 63.19 12.35 9.25 22.38 117.39 100.53 -81.33 140.47 99.15 0.48 0.37 24.99 73.56 0.53 0.32 0.06 0.00 0.10 0.44 14 K C T 170.61 0.85 17.88 17.30 110.35 -109.88 -66.14 133.78 99.02 0.18 0.80 0.49 3.43 95.33 0.07 0.53 0.00 0.10 0.06 15 G C T 36.55 8.28 17.19 26.26 95.96 22.88 86.20 -3.12 99.70 0.11 0.20 0.64 2.92 96.16 0.01 0.18 0.00 0.08 0.01 16 V E E 18.36 22.21 11.55 33.38 112.55 120.64 -80.35 124.73 26.17 73.68 0.15 24.43 1.46 0.16 0.07 0.10 0.00 70.23 3.54 17 Q E E 89.17 6.99 23.99 31.54 99.51 177.70 -96.77 -24.38 26.37 73.53 0.10 20.36 4.25 1.20 0.02 0.10 0.00 73.50 0.58 18 G E E 7.74 13.54 23.67 38.22 146.09 -34.92 170.75 173.85 21.65 78.27 0.07 11.83 6.33 2.32 0.01 0.07 0.00 79.30 0.15 19 I E E 21.58 21.37 21.52 42.34 131.01 -107.96 -135.05 144.27 4.27 95.72 0.02 4.20 0.15 0.01 0.01 0.01 0.00 95.55 0.08 20 I E E 16.67 19.95 24.31 43.96 119.91 -157.09 -114.57 127.14 0.54 99.46 0.00 0.50 0.02 0.00 0.00 0.00 0.00 99.46 0.02 21 V E E 23.49 16.88 24.58 41.45 116.71 -156.43 -105.69 125.46 0.28 99.72 0.00 0.24 0.01 0.00 0.00 0.00 0.00 99.74 0.00 22 V E E 18.79 18.00 17.94 36.35 127.93 -171.85 -122.80 148.37 1.19 98.80 0.00 1.18 0.03 0.00 0.00 0.00 0.00 98.45 0.33 23 N C C 48.22 8.13 18.80 28.04 124.57 -125.77 -81.02 175.56 81.02 18.94 0.04 81.06 0.61 0.08 0.01 0.02 0.00 17.35 0.87 24 T C T 93.60 7.79 14.95 24.04 91.09 -90.19 -64.87 -19.41 98.55 0.45 0.99 0.57 4.91 93.11 0.02 0.97 0.00 0.34 0.07 25 E C T 137.99 1.72 18.85 19.81 92.49 56.63 -88.55 0.21 98.96 0.09 0.95 0.41 3.99 94.55 0.02 0.96 0.00 0.05 0.02 26 G C S 16.51 16.53 13.61 30.41 96.74 -106.76 85.50 8.44 98.48 0.85 0.67 25.81 70.78 2.01 0.06 0.59 0.00 0.42 0.32 27 I C C 73.36 6.32 20.91 28.36 114.55 143.63 -85.83 130.54 84.66 15.29 0.05 82.84 3.26 0.07 0.02 0.02 0.00 5.85 7.94 28 P E E 37.21 18.84 13.34 31.90 109.98 -113.16 -66.61 131.27 2.51 97.47 0.02 2.49 0.10 0.01 0.02 0.00 0.00 85.93 11.45 29 I E E 84.23 7.55 19.72 27.99 100.80 177.06 -97.03 -28.91 8.61 91.28 0.12 5.27 3.07 0.37 0.01 0.10 0.00 91.05 0.14 30 K E E 105.25 4.83 21.67 27.45 137.53 2.17 -151.95 150.74 5.16 94.69 0.15 3.70 1.33 0.25 0.02 0.12 0.00 94.33 0.24 31 S E E 34.03 18.88 11.57 29.20 136.01 171.89 -146.78 152.43 17.77 82.11 0.13 16.39 1.26 0.17 0.05 0.07 0.00 80.93 1.13 32 T C C 80.08 5.08 18.95 24.77 109.91 -161.42 -113.85 19.98 64.28 35.50 0.23 40.69 22.31 1.82 0.04 0.22 0.00 33.63 1.29 33 M C S 90.92 8.92 12.92 22.55 111.64 64.59 -92.56 118.10 91.62 7.93 0.45 27.83 51.59 12.25 0.06 0.46 0.00 6.93 0.88 34 D C C 113.29 2.67 15.21 18.85 105.03 -61.04 -87.49 72.92 98.56 0.97 0.47 57.90 28.64 12.03 0.08 0.45 0.00 0.59 0.30 35 N C C 62.07 9.68 10.57 21.62 116.00 155.22 -109.01 129.36 95.14 0.67 4.19 67.11 25.22 2.57 3.55 0.78 0.00 0.20 0.57 36 P H H 107.15 1.61 16.05 17.47 93.16 -134.94 -63.79 -31.28 45.70 0.20 54.10 6.56 6.95 31.13 52.26 2.89 0.02 0.08 0.11 37 T H H 70.47 4.83 17.01 22.61 92.66 54.62 -67.22 -34.32 30.20 0.25 69.55 7.03 3.61 19.17 67.64 2.30 0.03 0.11 0.12 38 T H H 16.06 18.50 12.45 30.91 92.18 54.67 -63.74 -41.62 4.05 0.05 95.90 1.99 0.60 1.38 95.16 0.84 0.00 0.02 0.01 39 T H H 65.99 7.57 19.11 27.38 92.00 51.17 -64.19 -40.95 0.98 0.02 99.01 0.40 0.12 0.39 98.81 0.26 0.00 0.01 0.00 40 Q H H 113.29 1.74 23.71 23.51 91.86 49.75 -64.59 -41.72 0.47 0.01 99.52 0.13 0.05 0.23 99.43 0.16 0.00 0.00 0.00 41 Y H H 56.55 13.45 20.12 33.72 92.14 48.49 -65.09 -41.85 0.39 0.00 99.61 0.06 0.03 0.22 99.60 0.09 0.00 0.00 0.00 42 A H H 8.76 20.37 16.56 37.04 91.14 52.44 -62.71 -42.16 0.23 0.00 99.77 0.03 0.01 0.13 99.80 0.04 0.00 0.00 0.00 43 S H H 59.16 3.68 23.93 27.23 91.46 51.63 -63.72 -40.51 0.26 0.00 99.74 0.03 0.01 0.16 99.77 0.03 0.00 0.00 0.00 44 L H H 76.22 5.43 23.22 28.59 91.54 50.16 -64.37 -41.64 0.27 0.00 99.73 0.02 0.01 0.19 99.74 0.04 0.00 0.00 0.00 45 M H H 16.91 20.95 17.98 38.69 91.70 50.20 -64.41 -42.26 0.21 0.00 99.79 0.02 0.01 0.14 99.81 0.03 0.00 0.00 0.00 46 H H H 75.78 12.34 20.79 32.86 91.49 51.21 -62.56 -41.64 0.17 0.00 99.83 0.01 0.01 0.10 99.86 0.02 0.00 0.00 0.00 47 S H H 62.50 2.42 24.12 25.08 91.50 50.31 -64.19 -41.15 0.16 0.00 99.84 0.01 0.01 0.11 99.85 0.02 0.00 0.00 0.00 48 F H H 48.91 12.39 20.31 33.28 92.01 49.86 -64.62 -42.53 0.10 0.00 99.90 0.01 0.00 0.07 99.90 0.02 0.00 0.00 0.00 49 I H H 22.28 19.37 17.73 36.78 91.53 50.33 -62.92 -42.56 0.09 0.00 99.91 0.00 0.00 0.05 99.93 0.01 0.00 0.00 0.00 50 L H H 86.24 4.44 22.95 27.40 91.51 50.39 -63.76 -41.30 0.13 0.00 99.87 0.01 0.00 0.08 99.88 0.02 0.00 0.00 0.00 51 K H H 113.11 2.94 23.70 25.75 91.58 49.86 -64.51 -41.22 0.34 0.00 99.66 0.02 0.01 0.26 99.64 0.06 0.00 0.00 0.00 52 A H H 12.38 16.78 16.97 34.53 91.66 50.39 -63.91 -42.24 0.79 0.00 99.21 0.06 0.03 0.57 99.17 0.16 0.00 0.00 0.00 53 R H H 85.33 13.75 19.19 32.40 91.60 51.62 -62.67 -41.16 1.76 0.00 98.24 0.18 0.11 1.23 98.06 0.40 0.00 0.00 0.00 54 S H H 60.93 2.30 22.04 23.01 91.85 50.64 -64.62 -41.13 5.03 0.03 94.94 0.73 0.43 3.58 94.37 0.84 0.01 0.01 0.01 55 T H H 53.75 5.52 19.48 25.71 92.28 49.88 -65.34 -41.19 6.90 0.06 93.04 1.04 0.68 5.07 92.08 1.05 0.03 0.02 0.02 56 V H H 21.58 15.84 13.18 29.72 92.31 50.34 -65.60 -40.51 6.31 0.07 93.62 1.42 0.87 4.08 91.66 1.89 0.03 0.03 0.03 57 R H H 123.62 6.49 14.77 22.63 91.84 53.99 -64.81 -35.78 10.80 0.09 89.11 1.50 1.05 8.34 85.53 3.44 0.05 0.05 0.04 58 D H H 116.96 0.98 16.55 16.10 93.23 50.13 -70.80 -31.71 16.42 0.05 83.53 1.08 1.31 14.06 81.41 2.04 0.05 0.02 0.03 59 I H H 96.54 4.91 13.88 19.80 99.23 37.49 -87.54 -33.02 22.05 0.11 77.84 1.47 4.54 16.27 76.62 0.90 0.08 0.03 0.09 60 D C C 56.18 8.25 10.50 20.46 115.47 17.28 -135.39 91.81 99.63 0.19 0.17 86.39 12.73 0.47 0.10 0.05 0.00 0.06 0.19 61 P C T 102.60 3.35 10.76 16.41 93.25 -172.19 -64.61 -21.21 82.70 0.18 17.12 4.85 5.71 69.06 0.72 19.47 0.00 0.10 0.08 62 Q C T 148.43 0.86 13.85 13.64 94.52 59.16 -84.27 -7.57 81.31 0.23 18.46 3.11 6.65 68.73 0.86 20.40 0.00 0.13 0.12 63 N C C 71.31 10.95 9.94 21.35 107.94 87.40 -88.53 99.86 85.98 0.83 13.19 43.83 29.66 9.94 0.90 14.77 0.00 0.40 0.49 64 D C C 90.40 4.87 16.78 22.71 106.28 -160.86 -90.35 60.65 96.96 1.99 1.04 84.26 9.42 2.99 0.23 0.91 0.00 0.99 1.19 65 L C C 44.71 17.96 11.53 28.89 111.38 -118.81 -82.89 121.44 91.53 8.25 0.22 89.43 2.21 0.44 0.05 0.15 0.00 6.68 1.04 66 T C S 71.39 6.95 19.79 27.66 100.51 178.33 -95.08 -25.13 91.81 8.14 0.05 32.04 58.87 0.83 0.00 0.04 0.00 7.97 0.24 67 F E E 75.48 10.08 19.87 30.72 132.43 22.44 -143.12 142.62 10.19 89.77 0.04 7.50 2.68 0.19 0.01 0.03 0.00 89.32 0.29 68 L E E 34.01 18.92 16.69 35.29 124.03 -167.86 -124.01 132.09 1.43 98.56 0.01 1.34 0.05 0.01 0.00 0.00 0.00 98.57 0.03 69 R E E 96.17 10.10 21.71 32.23 120.13 -163.80 -113.58 127.81 0.50 99.50 0.00 0.47 0.01 0.00 0.00 0.00 0.00 99.50 0.01 70 I E E 36.50 16.50 16.45 33.44 119.34 -167.78 -113.13 129.07 0.55 99.45 0.00 0.48 0.02 0.00 0.00 0.00 0.00 99.48 0.01 71 R E E 121.58 7.21 17.14 25.83 120.95 -165.44 -117.24 131.66 3.09 96.90 0.02 2.69 0.24 0.03 0.00 0.01 0.00 96.91 0.12 72 S C C 37.45 8.57 12.17 22.47 130.76 172.00 -124.39 173.29 54.05 45.90 0.06 50.76 1.58 0.13 0.01 0.04 0.00 47.07 0.42 73 K C S 170.92 1.04 14.17 14.73 92.71 -88.12 -62.94 -33.89 99.18 0.51 0.31 1.90 54.06 43.31 0.01 0.28 0.00 0.36 0.07 74 K C S 143.10 2.42 14.66 17.66 102.65 18.91 -105.77 -15.48 99.22 0.49 0.29 2.03 52.13 45.12 0.01 0.28 0.00 0.36 0.07 75 N E E 41.21 11.43 14.49 27.28 139.31 16.44 -151.29 159.33 32.04 67.87 0.09 25.49 4.91 0.53 0.01 0.08 0.00 68.65 0.32 76 E E E 57.27 11.84 18.94 31.82 125.01 -141.70 -122.62 137.43 1.99 98.01 0.00 1.83 0.08 0.00 0.00 0.00 0.00 98.03 0.05 77 I E E 13.18 20.59 18.77 39.69 123.83 -164.64 -120.70 132.32 0.29 99.71 0.00 0.25 0.01 0.00 0.00 0.00 0.00 99.73 0.00 78 M E E 34.82 13.02 25.61 39.19 119.10 -161.18 -107.68 129.94 0.20 99.80 0.00 0.18 0.00 0.00 0.00 0.00 0.00 99.81 0.00 79 V E E 8.27 23.42 19.86 43.27 123.36 -167.90 -119.88 133.10 0.54 99.46 0.00 0.51 0.01 0.00 0.00 0.00 0.00 99.45 0.03 80 A E E 20.55 12.36 24.04 37.26 123.85 -174.05 -128.50 131.37 10.02 89.97 0.00 9.54 0.25 0.01 0.00 0.00 0.00 90.12 0.07 81 P E E 46.22 15.86 16.61 31.92 114.68 -128.57 -76.64 144.79 25.81 74.06 0.14 20.57 4.62 0.65 0.03 0.12 0.00 73.27 0.73 82 D C C 60.60 7.05 17.15 25.16 131.85 173.89 -131.51 172.16 81.79 18.02 0.19 71.35 8.94 0.93 0.04 0.18 0.00 17.13 1.42 83 K C S 163.63 1.86 15.36 17.85 92.99 -86.32 -63.73 -30.75 98.84 0.67 0.49 3.87 69.38 25.74 0.03 0.41 0.00 0.43 0.14 84 D C S 96.83 4.01 16.01 20.77 102.53 25.17 -106.81 -14.90 98.30 1.22 0.48 2.93 67.45 28.15 0.02 0.39 0.00 0.88 0.16 85 Y E E 59.49 12.03 16.23 29.44 138.10 24.91 -146.25 153.80 31.00 68.79 0.20 22.77 8.08 1.07 0.03 0.20 0.00 66.63 1.23 86 F E E 29.98 17.45 18.33 36.22 124.36 -153.89 -120.36 134.90 5.50 94.49 0.01 5.10 0.27 0.02 0.00 0.01 0.00 94.33 0.27 87 L E E 19.76 16.45 23.41 40.33 119.37 -158.30 -110.33 128.07 2.09 97.91 0.00 1.91 0.11 0.01 0.00 0.00 0.00 97.94 0.02 88 I E E 13.84 20.48 22.69 42.87 118.47 -162.91 -111.01 125.47 0.58 99.42 0.00 0.57 0.02 0.00 0.00 0.00 0.00 99.40 0.01 89 V E E 17.53 16.83 24.11 41.27 119.28 -166.23 -112.96 127.70 0.28 99.72 0.00 0.30 0.00 0.00 0.00 0.00 0.00 99.69 0.00 90 I E E 24.73 17.32 22.15 39.54 118.05 -161.72 -107.92 126.93 0.62 99.38 0.00 0.61 0.01 0.00 0.00 0.00 0.00 99.35 0.03 91 Q E E 46.40 13.87 19.70 33.95 123.69 -167.84 -113.31 139.32 12.43 87.56 0.01 11.31 0.68 0.05 0.00 0.01 0.00 87.53 0.41 92 N C C 51.41 10.63 17.10 28.99 109.30 -137.94 -95.11 113.11 91.61 8.35 0.04 89.10 2.17 0.12 0.01 0.03 0.00 8.32 0.27 93 P C T 61.42 10.47 12.74 24.67 94.17 -155.13 -67.24 -18.29 95.56 1.18 3.26 32.32 13.62 48.96 0.25 3.74 0.00 0.89 0.22 94 T C T 94.06 3.35 12.50 17.23 98.01 69.95 -82.97 -7.61 96.10 0.87 3.02 40.66 6.49 48.80 0.33 2.88 0.00 0.54 0.30 95 E C C 129.90 3.92 13.07 18.47 105.58 84.10 -81.18 79.59 99.78 0.13 0.09 99.26 0.42 0.18 0.02 0.04 0.00 0.07 0.02